Journal of Chemical Physics

Journal of Chemical Physics, Vol.100, No.10 Entire volume, number list

ISSN: 0021-9606 (Print)

In this Issue (92 articles)

6993 - 6999	Infrared Diode-Laser Spectra of the Nu(9) and Nu(11) N-O Stretching Bands of N2O4 Domenech JL, Andrews AM, Belov SP, Fraser GT, Lafferty WJ
7000 - 7011	Dynamics and Spectroscopy of Higher Bending Vibrational Levels of Ph2((A)over-Tilde-(2)A1) Xuan CN, Margani A
7012 - 7035	Fine-Structure Dependence of Predissociation Linewidth in the Schumann-Runge Bands of Molecular-Oxygen Lewis BR, Gibson ST, Dooley PM
7036 - 7041	Photodissociation Dynamics of a Hydrogen Molecule via Superexcited States as Studied Through the Angular-Momentum Population of an Excited Hydrogen-Atom Terazawa N, Kouchi N, Ukai M, Kameta K, Hatano Y, Ito K
7042 - 7050	A Model for the Energy-Levels of Rare Gas-Spherical Top Van-der-Waals Complexes Randall RW, Ibbotson JB, Howard BJ
7051 - 7060	Spectroscopy and Dynamics of Rare Gas-Spherical Top Complexes - The Infrared-Spectrum of the Nu(3) Band of Argon-Silane Randall RW, Ibbotson JB, Howard BJ
7061 - 7067	High-Resolution Electronic Spectroscopy of P-Toluidine - A Precessing Rotor Model for G(12) Molecules Tan XQ, Pratt DW
7068 - 7078	Photoinduced Charge-Transfer in Bichromophoric Molecules in the Gas-Phase Vandantzig NA, Shou HS, Alfano JC, Yang NC, Levy DH
7079 - 7086	Magneto-Infrared Spectra of the Si-2 Ge-2, and Sn-2 Molecules in Rare-Gas Matrices Li S, Vanzee RJ, Weltner W
7087 - 7092	Anomalous Complex Shift of Low-Frequency Out-of-Plane Vibrations in Aniline-M Van-der-Waals Complexes (M=he, Ne, Ar) Coutant B, Brechignac P
7093 - 7100	A Comparison of Photoelectron-Spectroscopy and 2-Photon Ionization Spectroscopy - Excited-States of Au-2, Au-3, and Au-4 Handschuh H, Gantefor G, Bechthold PS, Eberhardt W
7101 - 7108	Investigation of the Ground Vibrational-State Structure of (HCl)-Cl-35 Trimer Based on the Resolved K-Substructure, J-Substructure of the Nu(5) Vibrational Band Han J, Wang ZC, Mcintosh AL, Lucchese RR, Bevan JW
7109 - 7119	Dipole-Induced Dipole Light-Scattering in Supercooled Liquids Near the Liquid-Glass Transition Bykhovskii AD, Pick RM
7120 - 7134	Absolute Transition-Probability Measurement of Valence-Shell Electronic-Structure of CF4 and CCl4 - Bethe Surfaces, and Dipole-Dominated Preionization-Edge Valence and Rydberg States Ying JF, Leung KT
7135 - 7143	Vibrational Autoionization in H-2 Above the V(+)=3 Ionization-Limit Stephens JA, Greene CH
7144 - 7152	Pariser-Parr-Pople Farce Field for Pi-Electrons - Raman and Infrared Shifts of Transpolyacetylene Soos ZG, Hayden GW, Girlando A, Painelli A
7153 - 7165	Vibrational Spectroscopy of No+(H2O)(N) - Evidence for the Intracluster Reaction No+(H2O)(N)-)H3O+(H2O)(N-2) (Hono) at N-Greater-Than-or-Equal-to-4 Choi JH, Kuwata KT, Haas BM, Cao YB, Johnson MS, Okumura M
7166 - 7181	Equilibrium Structures and Approximate HF Vibrational Red Shifts for Arnhf (N=1-14) Van-der-Waals Clusters Liu SY, Bacic Z, Moskowitz JW, Schmidt KE
7182 - 7191	Kinetics of Optically Detected Magnetic-Resonance of Single Molecules Brown R, Wrachtrup J, Orrit M, Bernard J, Vonborczyskowski C
7192 - 7199	The Accuracy of the Quasi-Classical Landau-Lifshitz Formula for Matrix-Elements and Its Application to the Analysis of the Intensities of Vibrational Overtone Transitions Medvedev ES
7200 - 7205	Negative-Ion Reactions with Pf5 and the Electron-Affinity of Pf5 Miller TM, Miller AE, Viggiano AA, Morris RA, Paulson JF
7206 - 7222	The Structure of Small Nickel Clusters .1. Ni-3-Ni-15 Parks EK, Zhu L, Ho J, Riley SJ
7223 - 7228	C-60-C-60(+) Collisions - Semiempirical Molecular-Dynamics Simulations Long XP, Graham RL, Lee CT, Smithline S
7229 - 7238	Application of Complex L(2) Functions to the Calculation of Photodissociation Processes Mayrhofer RC, Bowman JM
7239 - 7249	Resonances in the Photodissociation of HCl in the Ar-HCl Van-der-Waals Complex - How Prominent Are They Schroder T, Schinke R, Mandziuk M, Bacic Z
7250 - 7267	High-Resolution Near-Infrared Spectroscopy of HCl-Dcl and Dcl-HCl - Relative Binding-Energies, Isomer Interconversion Rates, and Mode-Specific Vibrational Predissociation Schuder MD, Nesbitt DJ
7268 - 7278	Fluctuation-Dissipation Relations for Chemical-Systems Far from Equilibrium Vlad MO, Ross J
7279 - 7294	Random-Paths and Fluctuation-Dissipation Dynamics for One-Variable Chemical-Systems Far from Equilibrium Vlad MO, Ross J
7295 - 7309	Thermodynamic Approach to Nonequilibrium Chemical Fluctuations Vlad MO, Ross J
7310 - 7318	The Solution of the Time-Dependent Schrodinger-Equation by the (T,T’) Method - Multiphoton Ionization/Dissociation Probabilities in Different Gauges of the Electromagnetic Potentials Peskin U, Alon OE, Moiseyev N
7319 - 7330	Energy Activation of Adiabatic and Nonadiabatic Electron-Transfer Burshtein AI, Georgievski Y
7331 - 7339	Theory of Activated Rate-Processes in the Weak and Intermediate Friction Cases - New Analytical Results for One and Many Degrees of Freedom Shushin AI
7340 - 7347	Vibrational and Rotational Dependence of No-B Pi-2 State Quenching Luque J, Crosley DR
7348 - 7359	Guided-Ion Beam Measurements of X(+)+no (X=ar, N-2) Reactions Graul ST, Williams S, Dressler RA, Salter RH, Murad E
7360 - 7375	Dissociation Dynamics of H2O(D2O) Following Photoexcitation at the Lyman-Alpha Wavelength (121.6-nm) Mordaunt DH, Ashfold MN, Dixon RN
7376 - 7384	Ultraviolet Photodissociation Study of Ch3Sch3 and Ch3Ssch3 Lee YR, Chiu CL, Lin SM
7385 - 7399	Quasi-Classical Trajectory Study of Collisional Energy-Transfer in Toluene Systems .1. Argon Bath Gas - Energy-Dependence and Isotope Effects Lim KF
7400 - 7409	Open-Shell Restricted Hartree-Fock Perturbation-Theory - Some Considerations and Comparisons Lee TJ, Rendell AP, Dyall KG, Jayatilaka D
7410 - 7415	Benchmark Calculations with Correlated Molecular Wave-Functions .4. The Classical Barrier Height of the H+h-2-)H-2+h Reaction Peterson KA, Woon DE, Dunning TH
7416 - 7420	Structural Optimization in Variational Quantum Monte-Carlo Tanaka S
7421 - 7428	Systematic Construction of Efficient Many-Body Perturbation-Series Dietz K, Schmidt C, Warken M, Hess BA
7429 - 7442	An Implementation of Analytic 2nd Derivatives of the Gradient-Corrected Density-Functional Energy Johnson BG, Fisch MJ
7443 - 7453	Reference Interaction Site Model Self-Consistent-Field Study for Solvation Effect on Carbonyl-Compounds in Aqueous-Solution Tenno S, Hirata F, Kato S
7454 - 7470	Ab-Initio Computation of Semiempirical Pi-Electron Methods .1. Constrained, Transferable Valence Spaces in H-V Calculations Martin CH, Freed KF
7471 - 7475	Static Hyperpolarizability of N-2 Archibong EF, Thakkar AJ
7476 - 7480	On Quantum-Mechanical Phase-Space Wave-Functions Wlodarz JJ
7481 - 7486	Ab-Initio Potential-Energy Curves for Low-Lying States of Carbon-Disulfide Tseng DC, Poshusta RD
7487 - 7494	Solvent Effect on the First Hyperpolarizabilities of Conjugated Organic-Molecules Yu JW, Zerner C
7495 - 7502	Analytical Derivatives for Molecular Solutes .1. Hartree-Fock Energy First Derivatives with Respect to External Parameters in the Polarizable Continuum Model Cammi R, Tomasi J
7503 - 7507	Adiabatic Rotation of Effective Spin .1. New Insight into Spin-Rotational Interaction Steiner UE, Serebrennikov YA
7508 - 7514	Adiabatic Rotation of Effective Spin .2. Spin-Rotational Relaxation Serebrennikov YA, Steiner UE
7515 - 7522	Compact Expressions for the Electron-Electron Distribution Function for the S-2 States of 3-Electron Systems Dressel PR, King FW
7523 - 7534	Ab-Initio Studies of Cyclic Water Clusters (H2O)(N), N=1-6 .2. Analysis of Many-Body Interactions Xantheas SS
7535 - 7542	Energy-Adjusted Pseudopotentials for the Actinides - Parameter Sets and Test Calculations for Thorium and Thorium Monoxide Kuchle W, Dolg M, Stoll H, Preuss H
7543 - 7547	The Interatomic Structure of Argon in Water Broadbent RD, Neilson GW
7548 - 7552	Diffusion in Lennard-Jones Fluids Using Dual Control-Volume Grand-Canonical Molecular-Dynamics Simulation (Dcv-Gcmd) Heffelfinger GS, Vanswol F
7553 - 7566	Structural-Properties of Mixtures of Highly Asymmetrical Electrolytes and Uncharged Particles Using the Hypernetted-Chain Approximation Forciniti D, Hall CK
7567 - 7579	Application of Classical Liquid-State Methods to the Calculation of Optical-Absorption Bands in Fluids Winn MD, Kahl G
7580 - 7589	Diffusion-Controlled, Heterogeneous Reaction in a Material with a Bimodal Poresize Distribution Loewenberg M
7590 - 7601	Quantum Simulation Studies of Metal-Ammonia Solutions Deng ZH, Martyna GJ, Klein ML
7602 - 7609	The Kinetic-Theory of the Effect of Chemical-Reaction on Diffusion of a Trace Gas Nowakowski B, Popielawski J
7610 - 7629	Path-Integral Simulations of Mixed Para-D-2 and Ortho-D-2 Clusters - The Orientational Effects Buch V
7630 - 7639	Dynamic Monte-Carlo Simulations of Freezing and Melting at the 100 and 111 Surfaces of the Simple Cubic Phase in the Face-Centered-Cubic Lattice-Gas Moss R, Harrowell P
7640 - 7647	Lattice-Dynamics of Halogenated Anthracene-Derivatives Under Pressure Dellavalle RG, Brillante A
7648 - 7653	Order-Disorder Transitions in Finite Biopolymers - A Sequence Generating Function-Approach Dewey TG
7654 - 7664	The Dielectric-Constant of Polar Fluids and the Distribution of the Total Dipole-Moment Kusalik PG, Mandy ME, Svishchev IM
7665 - 7671	A General Relation Between the Nucleation Work and the Size of the Nucleus in Multicomponent Nucleation Oxtoby DW, Kashchiev D
7672 - 7676	Monte-Carlo Simulations and Kinetic-Theory of Homogeneous and Heterogeneous Adsorption with Lateral Interactions Cortes J, Valencia E, Araya P
7677 - 7686	Raman-Scattering and Microwave Dielectric Studies of the Structural Phase-Transition in the Quasi-One-Dimensional Ferromagnet (CH3)(4)Nnibr3 Musfeldt JL, Poirier M, Jandl S, Renard JP
7687 - 7695	Quantum-Mechanical Study of H(G)+cl-Au(111) - Eley-Rideal Mechanism Jackson B, Persson M, Kay BD
7696 - 7699	Diffusion of Atoms and Dimers on Metal-Surfaces Ruckenstein E, Tsekov R
7700 - 7706	Velocity Distributions of Photochemically Desorbed Molecules Zimmermann FM, Ho W
7707 - 7717	Fluids in Micropores .4. The Behavior of Molecularly Thin Confined Films in the Grand Isostress Ensemble Schoen M, Diestler DJ, Cushman JH
7718 - 7721	Influence of Chain Stiffness on the Micellization of Block-Copolymers in a Selective Solvent as Observed in Monte-Carlo Simulations Adriani P, Wang YM, Mattice WL
7722 - 7735	Structure of Monolayer and Multilayer Langmuir-Blodgett-Films from Cd Arachidate and Ca Arachidate Kinzler M, Schertel A, Hahner G, Woll C, Grunze M, Albrecht H, Holzhuter G, Gerber T
7736 - 7743	Dynamic Characterization of Liquid-Crystalline Polymers Under Flow-Aligning Shear Conditions Maffettone PL, Marrucci G, Mortier M, Moldenaers P, Mewis J
7744 - 7748	Study of Random Copolymers in Dilute-Solution Swift BW, Delacruz MO
7749 - 7753	The Possible Crossover Effects of NaNO3 Confined in Porous-Media - From Bulk to Clusters Mu R, Jin F, Morgan SH, Henderson DO, Silberman E
7754 - 7758	Theta-State and Collapse of Off-Lattice Chains in 2 Dimensions Torres AM, Rubio AM, Freire JJ, Bishop M, Clarke JH
7759 - 7766	Determination of Surface-Diffusion Coefficients by Monte-Carlo Methods - Comparison of Fluctuation and Kubo-Green Methods Uebing C, Gomer R
7767 - 7783	Integral-Equation Theory of Block-Copolymer Liquids .1. General Formalism and Analytic Predictions for Symmetrical Copolymers David EF, Schweizer KS
7784 - 7795	Integral-Equation Theory of Block-Copolymer Liquids .2. Numerical Results for Finite Hard-Core Diameter Chains David EF, Schweizer KS
7796 - 7803	Adsorption of Polyelectrolytes Onto Curved Surfaces Vongoeler F, Muthukumar M
7804 - 7813	The Collapse of Chains with Different Architectures Raos G, Allegra G, Ganazzoli F
7814 - 7824	Scanning-Tunneling-Microscopy Theory for an Adsorbate - Application to Adenine Adsorbed on a Graphite Surface Ouyang H, Marcus RA, Kallebring B
7825 - 7827	Observation of Liquid-Like Correlations of Polyelectrolytes Under High-Shear Conditions Reed WF
7828 - 7831	Calculation of the Rovibrational B(-X Excitation Spectrum of the He2Cl2 Cluster Hernandez MI, Halberstadt N
7832 - 7835	Collisional Deactivation of Highly Vibrationally Excited NO2 Monitored by Time-Resolved Fourier-Transform Infrared-Emission Spectroscopy Hartland GV, Qin D, Dai HL
7836 - 7839	A Self-Consistent Determination of the Atomic and Electronic-Structure of a Model Liquid-Metal Winn M, Kahl G
7840 - 7843	Charge-Induced H-2 Spectrum in Gamma-Ray Irradiated Para-H-2 Crystals Momose T, Kerr KE, Weliky DP, Gabrys CM, Dickson RM, Oka T
7844 - 7844	Molecular-Dynamics of the Surface-Tension of a Drop - Comment Brodskaya EN, Rusanov AI
7845 - 7845	Molecular-Dynamics of the Surface-Tension of a Drop - Response Nijmeijer MJ, Bruin C, Vanleeuwen JM